7D1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 110.3° | 109.5° |
| O6 | C6 | H4 | 109.3° | 109.5° |
| O6 | C6 | H5 | 109.2° | 109.5° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 105.2° | 109.4° |
| C6 | C5 | C4 | 114.9° | 109.5° |
| C6 | C5 | H3 | 108.6° | 109.5° |
| C5 | C6 | H4 | 109.2° | 109.4° |
| C5 | C6 | H5 | 109.3° | 109.5° |
| O5 | C5 | C4 | 109.9° | 109.4° |
| C5 | O5 | C1 | 111.8° | 114.1° |
| O5 | C5 | H3 | 109.7° | 109.5° |
| C5 | C4 | O4 | 108.9° | 109.5° |
| C5 | C4 | C3 | 109.1° | 109.2° |
| C5 | C4 | H2 | 109.5° | 109.6° |
| C4 | C5 | H3 | 108.5° | 109.5° |
| O5 | C1 | C2 | 109.2° | 109.4° |
| O5 | C1 | H11 | 109.6° | 109.5° |
| O5 | C1 | H12 | 109.6° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.2° |
| C1 | C2 | H9 | 109.3° | 109.5° |
| C1 | C2 | H10 | 109.3° | 109.6° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| O4 | C4 | C3 | 108.6° | 109.5° |
| C4 | O4 | H1 | 109.5° | 114.0° |
| O4 | C4 | H2 | 110.8° | 109.6° |
| C4 | C3 | C2 | 109.8° | 109.1° |
| C4 | C3 | O3 | 109.4° | 109.6° |
| C3 | C4 | H2 | 109.8° | 109.5° |
| C4 | C3 | H7 | 108.9° | 109.6° |
| C2 | C3 | O3 | 110.2° | 109.6° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| C3 | C2 | H9 | 109.3° | 109.5° |
| C3 | C2 | H10 | 109.3° | 109.6° |
| O3 | C3 | H7 | 109.8° | 109.6° |
| C3 | O3 | H8 | 109.5° | 114.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H4 | 120.1° | 120.0° |
| O6 | C6 | C5 | H5 | 120.1° | 120.0° |
| O6 | C6 | C5 | O5 | 57.0° | 65.0° |
| O6 | C6 | C5 | C4 | 63.9° | 175.1° |
| O6 | C6 | C5 | H3 | 174.5° | 55.0° |
| O6 | C6 | H4 | H5 | 119.6° | 120.0° |
| C6 | C5 | O5 | C4 | 124.2° | 119.9° |
| C6 | C5 | O5 | H3 | 116.7° | 120.0° |
| C6 | C5 | C4 | H3 | 121.7° | 120.1° |
| C6 | C5 | O5 | C1 | 172.8° | 178.8° |
| C6 | C5 | C4 | O4 | 65.5° | 62.6° |
| C6 | C5 | C4 | C3 | 176.1° | 177.6° |
| C6 | C5 | C4 | H2 | 55.9° | 57.7° |
| C5 | C6 | H4 | H5 | 119.6° | 120.0° |
| C5 | C6 | O6 | H6 | 180.0° | 179.9° |
| O5 | C5 | C4 | H3 | 120.0° | 120.0° |
| C5 | O5 | C1 | C2 | 62.8° | 61.2° |
| O5 | C5 | C4 | O4 | 176.2° | 177.5° |
| O5 | C5 | C4 | C3 | 57.8° | 57.6° |
| O5 | C5 | C4 | H2 | 62.5° | 62.2° |
| O5 | C5 | C6 | H4 | 177.2° | 175.0° |
| O5 | C5 | C6 | H5 | 63.1° | 55.0° |
| C5 | O5 | C1 | H11 | 57.1° | 178.9° |
| C5 | O5 | C1 | H12 | 177.2° | 58.8° |
| C4 | C5 | O5 | C1 | 63.0° | 61.2° |
| C5 | C4 | O4 | C3 | 118.8° | 119.7° |
| C5 | C4 | O4 | H2 | 120.5° | 120.2° |
| C5 | C4 | C3 | H2 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 54.3° | 57.0° |
| C5 | C4 | C3 | O3 | 175.4° | 176.9° |
| C5 | C4 | O4 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | H4 | 56.2° | 55.1° |
| C4 | C5 | C6 | H5 | 176.0° | 64.9° |
| C5 | C4 | C3 | H7 | 64.7° | 62.8° |
| O5 | C1 | C2 | H11 | 120.0° | 120.0° |
| O5 | C1 | C2 | H12 | 120.0° | 120.0° |
| O5 | C1 | C2 | C3 | 58.2° | 57.6° |
| C1 | O5 | C5 | H3 | 56.1° | 58.8° |
| O5 | C1 | C2 | H9 | 178.3° | 62.3° |
| O5 | C1 | C2 | H10 | 61.9° | 177.6° |
| O5 | C1 | H11 | H12 | 120.2° | 120.1° |
| C1 | C2 | C3 | C4 | 55.1° | 56.9° |
| C1 | C2 | C3 | H9 | 120.1° | 119.8° |
| C1 | C2 | C3 | H10 | 120.1° | 120.0° |
| C1 | C2 | C3 | O3 | 175.7° | 176.8° |
| C1 | C2 | C3 | H7 | 63.9° | 62.9° |
| C1 | C2 | H9 | H10 | 119.6° | 120.2° |
| C2 | C1 | H11 | H12 | 120.1° | 120.0° |
| O4 | C4 | C3 | H2 | 121.4° | 120.2° |
| O4 | C4 | C3 | C2 | 172.9° | 176.8° |
| O4 | C4 | C3 | O3 | 66.0° | 63.2° |
| O4 | C4 | C5 | H3 | 56.2° | 57.5° |
| O4 | C4 | C3 | H7 | 53.9° | 57.0° |
| C4 | C3 | C2 | O3 | 120.6° | 119.9° |
| C4 | C3 | C2 | H7 | 119.1° | 119.9° |
| C4 | C3 | O3 | H7 | 119.4° | 120.3° |
| C3 | C4 | O4 | H1 | 61.2° | 60.0° |
| C3 | C4 | C5 | H3 | 62.2° | 62.4° |
| C4 | C3 | O3 | H8 | 180.0° | 180.0° |
| C4 | C3 | C2 | H9 | 175.3° | 62.9° |
| C4 | C3 | C2 | H10 | 65.0° | 176.9° |
| C2 | C3 | O3 | H7 | 119.8° | 120.1° |
| C2 | C3 | C4 | H2 | 65.7° | 63.0° |
| C2 | C3 | O3 | H8 | 59.1° | 60.4° |
| C3 | C2 | H9 | H10 | 119.6° | 120.2° |
| C3 | C2 | C1 | H11 | 61.8° | 177.6° |
| C3 | C2 | C1 | H12 | 178.1° | 62.5° |
| O3 | C3 | C4 | H2 | 55.3° | 56.9° |
| O3 | C3 | C2 | H9 | 64.2° | 57.0° |
| O3 | C3 | C2 | H10 | 55.6° | 63.1° |
| H1 | O4 | C4 | H2 | 59.5° | 60.1° |
| H2 | C4 | C5 | H3 | 177.6° | 177.8° |
| H2 | C4 | C3 | H7 | 175.3° | 177.2° |
| H3 | C5 | C6 | H4 | 65.4° | 65.0° |
| H3 | C5 | C6 | H5 | 54.4° | 175.0° |
| H4 | C6 | O6 | H6 | 59.9° | 60.0° |
| H5 | C6 | O6 | H6 | 59.9° | 60.0° |
| H7 | C3 | O3 | H8 | 60.6° | 59.8° |
| H7 | C3 | C2 | H9 | 56.2° | 177.2° |
| H7 | C3 | C2 | H10 | 175.9° | 57.1° |
| H9 | C2 | C1 | H11 | 58.3° | 57.7° |
| H9 | C2 | C1 | H12 | 61.7° | 177.7° |
| H10 | C2 | C1 | H11 | 178.1° | 62.4° |
| H10 | C2 | C1 | H12 | 58.0° | 57.5° |
